Ionic Charges and Hydrogen Bonding in Polymer Systems

这项工作的目的是通过在微扰各向异性链理论(PACT)(Vimalchand，1985,1986)中加入长程电荷-电荷相互作用(Henderson，1983)的贡献来提出一个新的电解质溶液模型，该理论考虑了分子-分子间的短程相互作用。由于原始模型中使用的介电常数仅用于离子附近的电荷-分子相互作用引起的溶剂化效应，因此推导出了离子与溶液主体中的分子(即未溶剂化的分子)相互作用的附加项，并将其包含在理论中。电解液，特别是水电解液，在环境、生物体和工业过程中很常见。它们的热力学性质在许多行业的分离、发酵和提纯过程中起着重要的作用。因此，在过去的十年里，人们对预测电解质溶液的热力学性质的兴趣与日俱增。

The purpose of this work is to present a new model for electrolyte solutions by adding contributions for long-range charge-charge interactions (Henderson, 1983) to Perturbed-Anisotropic-Chain theory (PACT) (Vimalchand, 1985, 1986) which takes short-range molecule- molecule interactions into account. Since dielectric constants used in the primitive model are only for solvation effects caused by charge-molecule interactions near ions, additional terms for the interactions of ions with molecules in the bulk of the solution (i.e. those not solvated) are derived and included in the theory as well. Electrolyte Solutions, especially aqueous electrolyte solutions, are common in the environment, living organisms, and industrial processes. Their thermodynamic properties play an important role in separation, fermentation and purification processes in numerous industries. Therefore, interest in the prediction of thermodynamic properties of electrolyte solutions has grown over the past decade.